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1-[3-(Trifluoromethyl)phenyl]-2-propanone

1-[3-(Trifluoromethyl)phenyl]-2-propanone structure

CAS No:
21906-39-8
Formula:
C10H9F3O
Chemical Name:
1-[3-(Trifluoromethyl)phenyl]-2-propanone
Synonyms:
2-Propanone,1-[3-(trifluoromethyl)phenyl]-;2-Propanone,1-(α,α,α-trifluoro-m-tolyl)-;1-[3-(Trifluoromethyl)phenyl]-2-propanone;m-(Trifluoromethyl)benzyl methyl ketone;1-(3-Trifluoromethylphenyl)-2-propanone;[3-(Trifluoromethyl)phenyl]acetone;1-(α,α,α-Trifluoro-m-tolyl)-2-propanone;m-(Trifluoromethyl)phenylacetone;1-(3-Trifluoromethylphenyl)acetone;1-(3-Trifluoromethylphenyl)propane-2-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR YELLOW LIQUID

1-[3-(Trifluoromethyl)phenyl]-2-propanone Basic Attributes

Molecular Weight：

202.17

Exact Mass：

202.17

EC Number：

244-652-6

DSSTox ID：

DTXSID50176320

HScode：

29147000

Characteristics

PSA：

17.1

XLogP3：

2.7

Appearance：

yellow Clear liquid

Density：

1.204 g/mL at 25 °C(lit.)

Boiling Point：

105-115 °C @ Press: 20 Torr

Flash Point：

192 °F

Refractive Index：

n20/D 1.457(lit.)

Storage Conditions：

Refrigerator

Vapor Pressure：

0.00322mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39-37/39

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:202.17
XLogP3:2.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:202.06054939
Monoisotopic Mass:202.06054939
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

368-79-6

Latest News on 1-[3-(Trifluoromethyl)phenyl]-2-propanone

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Guide of 1-[3-(Trifluoromethyl)phenyl]-2-propanone

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Synthesis Route
Latest News
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1-[3-(Trifluoromethyl)phenyl]-2-propanone

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